SCHEMBL5904591

SCHEMBL5904591

CC(C)c1nn(-c2ccc(C(F)(F)F)cc2)cc1C(C)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.41
NOTUM Q6P988 1/20 0.40
CASR P41180 5/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
SRC P12931 1/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
AADAT Q8N5Z0 1/20 0.38
ADORA3 P0DMS8 2/20 0.36
KCNH2 Q12809 1/20 0.36
PTGS2 P35354 1/20 0.34
TRPA1 O75762 2/20 0.33
ATM Q13315 1/20 0.33
PTGES O14684 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5904780 0.84 PDE2A (0.42) PDE2ANOTUMCASRHSP90AA1HSP90AB1
SCHEMBL5904860 0.82 PDE2A (0.43) PDE2ANOTUMCASRHSP90AA1HSP90AB1
SCHEMBL5904618 0.79 NOTUM (0.40) NOTUMCASRHSP90AA1HSP90AB1SRC
SCHEMBL4100527 0.79 NOTUM (0.49) NOTUMCASRSRCBRAFKDR
SCHEMBL6035925 0.76 PTGS2 (0.40) NOTUMCASRSRCBRAFKDR
SCHEMBL5904543 0.76 PDE2A (0.47) PDE2ANOTUMCASRHSP90AA1HSP90AB1
SCHEMBL3206263 0.76 NOTUM (0.40) NOTUMCASRSRCBRAFKDR
SCHEMBL3965779 0.76 PARP1 (0.44) PDE2ANOTUMCASRADORA3
SCHEMBL6034578 0.75 TLR8 (0.44) PDE2ANOTUMCASRSRCBRAF
SCHEMBL6035689 0.73 MEN1 (0.46) CASRAADATADORA3TRPA1ATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241157-A1 Heterocyclic ppar modulators ELI LILLY AND COMPANY 2006-10-26 US disclosed
EP-1585733-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063166-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060241157-A1 Heterocyclic ppar modulators PPARA, PPARG, PPARD PDE2A 2672/4885NOTUM 274/4885CASR 1359/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.